First-principles determination of the enthalpy of formation of Mn–Si phases

• The enthalpies of formation of 5 phases are calculated at 0 K using the DFT.
• The phases are Mn3Si, Mn5Si2, Mn5Si3, MnSi and Mn4Si7.
• Calculated physical properties are compared to previous calculations and experiments.
• Enthalpies of formation are discussed.

After a careful survey of the literature, the enthalpies of formation of Mn3Si, Mn5Si2, Mn5Si3, MnSi and Mn4Si7 have been calculated at 0 K using the density functional theory. The calculated physical properties are compared to previous calculations and experiments. The enthalpies of formation of the phases are finally discussed.